2-[methyl-(3-methyltriazolo[4,5-d]pyrimidin-5-yl)amino]acetic acid

C8H10N6O2 — CID 83838618

IUPAC2-[methyl-(3-methyltriazolo[4,5-d]pyrimidin-5-yl)amino]acetic acid
SMILESCN(CC(=O)O)c1ncc2nnn(C)c2n1
InChIInChI=1S/C8H10N6O2/c1-13(4-6(15)16)8-9-3-5-7(10-8)14(2)12-11-5/h3H,4H2,1-2H3,(H,15,16)
InChIKeyQDOSZDWJARRGSY-UHFFFAOYSA-N
MW222.21 g/mol
LogP-0.72
Rot. Bonds3

About 2-[methyl-(3-methyltriazolo[4,5-d]pyrimidin-5-yl)amino]acetic acid

2-[methyl-(3-methyltriazolo[4,5-d]pyrimidin-5-yl)amino]acetic acid (PubChem CID 83838618) has the molecular formula C8H10N6O2 and a molecular weight of 222.21 g/mol. Its IUPAC name is 2-[methyl-(3-methyltriazolo[4,5-d]pyrimidin-5-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-(3-methyltriazolo[4,5-d]pyrimidin-5-yl)amino]acetic acid
PubChem CID83838618
Molecular FormulaC8H10N6O2
Molecular Weight222.21 g/mol
Exact Mass222.09
IUPAC Name2-[methyl-(3-methyltriazolo[4,5-d]pyrimidin-5-yl)amino]acetic acid
SMILESCN(CC(=O)O)c1ncc2nnn(C)c2n1
InChIInChI=1S/C8H10N6O2/c1-13(4-6(15)16)8-9-3-5-7(10-8)14(2)12-11-5/h3H,4H2,1-2H3,(H,15,16)
InChIKeyQDOSZDWJARRGSY-UHFFFAOYSA-N
XLogP-0.72
TPSA97.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(9H-purin-9-yl)acetic acid
CID 236400
3-Methyl-3H-1,2,3-triazolo(4,5-d)pyrimidine
CID 10011945
1-methyl-1H-[1,2,3]triazolo[4,5-d]pyrimidine
CID 12259247
1-(9h-Purin-9-yl)-2-propanone
CID 54470109
2-Amino-3-purin-9-ylpropanoic acid
CID 69404907
9-Methyl-9H-purine-8-carboxylic acid
CID 89474933
Purinylalanine
CID 129786913
Triazolopyrimidine carboxylic
CID 129859938
Purin-yl-glycine
CID 129690333
beta-(2-Aminopurin-9-yl)-l-alanine
CID 129691457
Purin-9-yl-alpha-aminobutyric acid
CID 129870518
beta-(9-Purinyl)alanine
CID 129870831

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(3-methyltriazolo[4,5-d]pyrimidin-5-yl)amino]acetic acid?
The IUPAC name of 2-[methyl-(3-methyltriazolo[4,5-d]pyrimidin-5-yl)amino]acetic acid (CID 83838618) is 2-[methyl-(3-methyltriazolo[4,5-d]pyrimidin-5-yl)amino]acetic acid.
What is the SMILES notation for 2-[methyl-(3-methyltriazolo[4,5-d]pyrimidin-5-yl)amino]acetic acid?
The canonical SMILES for 2-[methyl-(3-methyltriazolo[4,5-d]pyrimidin-5-yl)amino]acetic acid is CN(CC(=O)O)c1ncc2nnn(C)c2n1.
What is the InChIKey of 2-[methyl-(3-methyltriazolo[4,5-d]pyrimidin-5-yl)amino]acetic acid?
The InChIKey is QDOSZDWJARRGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O2/c1-13(4-6(15)16)8-9-3-5-7(10-8)14(2)12-11-5/h3H,4H2,1-2H3,(H,15,16).
What are the key properties of 2-[methyl-(3-methyltriazolo[4,5-d]pyrimidin-5-yl)amino]acetic acid?
2-[methyl-(3-methyltriazolo[4,5-d]pyrimidin-5-yl)amino]acetic acid has a molecular weight of 222.21 g/mol, XLogP of -0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(3-methyltriazolo[4,5-d]pyrimidin-5-yl)amino]acetic acid is sourced from PubChem (CID 83838618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).